(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone

C22H20FN3O3S — CID 139004966

IUPAC(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)s2)cc1
InChIInChI=1S/C22H20FN3O3S/c1-29-18-8-4-15(5-9-18)20-24-14-19(30-20)22(28)26-12-10-25(11-13-26)21(27)16-2-6-17(23)7-3-16/h2-9,14H,10-13H2,1H3
InChIKeyNOODIUOZJGKTBS-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.56
Rot. Bonds4

About (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone (PubChem CID 139004966) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
PubChem CID139004966
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)s2)cc1
InChIInChI=1S/C22H20FN3O3S/c1-29-18-8-4-15(5-9-18)20-24-14-19(30-20)22(28)26-12-10-25(11-13-26)21(27)16-2-6-17(23)7-3-16/h2-9,14H,10-13H2,1H3
InChIKeyNOODIUOZJGKTBS-UHFFFAOYSA-N
XLogP3.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 55704356
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 120816382
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491471
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540953

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone (CID 139004966) is (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone is COc1ccc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)s2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone?
The InChIKey is NOODIUOZJGKTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-29-18-8-4-15(5-9-18)20-24-14-19(30-20)22(28)26-12-10-25(11-13-26)21(27)16-2-6-17(23)7-3-16/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone has a molecular weight of 425.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 139004966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).